(2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene

C15H25FO — CID 89312914

IUPAC(2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene
SMILESC/C=C\C=C(/C=C/CC(C)C)OC(F)C(C)C
InChIInChI=1S/C15H25FO/c1-6-7-10-14(11-8-9-12(2)3)17-15(16)13(4)5/h6-8,10-13,15H,9H2,1-5H3/b7-6-,11-8+,14-10+
InChIKeyPGZZIWGUERQTHD-NSAHAEETSA-N
MW240.36 g/mol
LogP5.02
Rot. Bonds7

About (2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene

(2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene (PubChem CID 89312914) has the molecular formula C15H25FO and a molecular weight of 240.36 g/mol. Its IUPAC name is (2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene
PubChem CID89312914
Molecular FormulaC15H25FO
Molecular Weight240.36 g/mol
Exact Mass240.19
IUPAC Name(2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene
SMILESC/C=C\C=C(/C=C/CC(C)C)OC(F)C(C)C
InChIInChI=1S/C15H25FO/c1-6-7-10-14(11-8-9-12(2)3)17-15(16)13(4)5/h6-8,10-13,15H,9H2,1-5H3/b7-6-,11-8+,14-10+
InChIKeyPGZZIWGUERQTHD-NSAHAEETSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.36
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene?
The IUPAC name of (2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene (CID 89312914) is (2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene?
The canonical SMILES for (2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene is C/C=C\C=C(/C=C/CC(C)C)OC(F)C(C)C.
What is the InChIKey of (2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene?
The InChIKey is PGZZIWGUERQTHD-NSAHAEETSA-N. The full InChI is InChI=1S/C15H25FO/c1-6-7-10-14(11-8-9-12(2)3)17-15(16)13(4)5/h6-8,10-13,15H,9H2,1-5H3/b7-6-,11-8+,14-10+.
What are the key properties of (2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene?
(2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene has a molecular weight of 240.36 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene is sourced from PubChem (CID 89312914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).